[(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone

C21H20FN3O3 — CID 90422950

IUPAC[(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CC[C@H]2c2nc(-c3cccc(F)c3C)no2)ccc1C
InChIInChI=1S/C21H20FN3O3/c1-12-7-8-14(11-18(12)27-3)21(26)25-10-9-17(25)20-23-19(24-28-20)15-5-4-6-16(22)13(15)2/h4-8,11,17H,9-10H2,1-3H3/t17-/m0/s1
InChIKeyKPERIPVGLOVYJD-KRWDZBQOSA-N
MW381.41 g/mol
LogP4.09
Rot. Bonds4

About [(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone

[(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone (PubChem CID 90422950) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is [(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
PubChem CID90422950
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name[(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CC[C@H]2c2nc(-c3cccc(F)c3C)no2)ccc1C
InChIInChI=1S/C21H20FN3O3/c1-12-7-8-14(11-18(12)27-3)21(26)25-10-9-17(25)20-23-19(24-28-20)15-5-4-6-16(22)13(15)2/h4-8,11,17H,9-10H2,1-3H3/t17-/m0/s1
InChIKeyKPERIPVGLOVYJD-KRWDZBQOSA-N
XLogP4.09
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039334
[(2S)-2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 86270133
[(2R)-2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134155511
(3,4-dimethylphenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125127342
[2-[3-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[4,5-dimethyl-2-(triazol-2-yl)phenyl]methanone
CID 90422209
(2-methoxyphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039319
1-[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 95057627
N-(3,4-dimethylphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039469
[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95057584
N-(2,3-dimethylphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039468
(3-fluorophenyl)-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 7236954
[(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95057587

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of [(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone (CID 90422950) is [(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for [(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for [(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)N2CC[C@H]2c2nc(-c3cccc(F)c3C)no2)ccc1C.
What is the InChIKey of [(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is KPERIPVGLOVYJD-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-12-7-8-14(11-18(12)27-3)21(26)25-10-9-17(25)20-23-19(24-28-20)15-5-4-6-16(22)13(15)2/h4-8,11,17H,9-10H2,1-3H3/t17-/m0/s1.
What are the key properties of [(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
[(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 381.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 90422950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).